Anethole, (Z)-
PubChem CID: 1549040
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | cis-Anethole, (Z)-Anethole, 25679-28-1, (Z)-1-Methoxy-4-(prop-1-en-1-yl)benzene, cis-p-Propenylanisole, Anethole, cis, ANISOLE, p-PROPENYL-, cis-, Anethole, (Z)-, 78AWK1V4GL, Benzene, 1-methoxy-4-(1-propenyl)-, (Z)-, 1-methoxy-4-[(Z)-prop-1-enyl]benzene, ANETHOLE, CIS-, DTXSID4058651, CHEBI:78412, cis-p-Anethole, 1-methoxy-4-[(1Z)-prop-1-en-1-yl]benzene, (Z-)-Anethole, E-anethole, Methoxy-4-propenylbenzene, 4-06-00-03796 (Beilstein Handbook Reference), EINECS 247-181-4, UNII-78AWK1V4GL, BRN 1209632, trans-1-(p-Methoxyphenyl)propene, Anistearoptene, cis-p-Methoxy-beta-methylstyrene, Anethole, USAN, NCGC00091493-01, trans-Anise camphor, 4-cis-propenyl-anisole, p-Propenylanisole, 8CI, 1-(methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene, p-Propenyl-trans-Anisole, CIS-ANETHOLE [MI], SCHEMBL57011, ghl.PD_Mitscher_leg0.374, 1-(p-Methoxyphenyl)-Propene, CHEMBL1468832, DTXCID0032283, FEMA 2086, 1-Methoxy-4-(propenyl)-Benzene, 1-Methoxy-4-(propen-1-yl)-Benzene, AKOS015840488, Anisole, p-propenyl-, (E)- (8CI), 1-Methoxy-4-(1E)-1-propenyl-Benzene, 1-Methoxy-4-(1-propenyl)benzene, 9CI, 1-Methoxy-4-(1-propenyl)-(E)-Benzene, BENZENE, 1-METHOXY-4-(1-PROPENYL, 1-Methoxy-4-(1E)-1-propen-1-yl-Benzene, NS00125150, methyl 4-[(1Z)-prop-1-en-1-yl]phenyl ether, Q27147814, 247-181-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Cinnamic acids and derivatives |
| Deep Smiles | C/C=Ccccccc6))OC |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Phenol ethers |
| Description | Low level only permitted in flavours. cis-Anethole is found in many foods, some of which are star anise, anise, sweet basil, and fennel. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Anisoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P02545, P16473, P04637, P08684 |
| Iupac Name | 1-methoxy-4-[(Z)-prop-1-enyl]benzene |
| Prediction Hob | 1.0 |
| Class | Phenol ethers |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT483, NPT210, NPT539, NPT109 |
| Xlogp | 3.3 |
| Superclass | Benzenoids |
| Subclass | Anisoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12O |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RUVINXPYWBROJD-ARJAWSKDSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.2 |
| Logs | -3.282 |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Logd | 2.752 |
| Synonyms | (z-)-anethole, (z)-anethol, (z)-anethole, 1-(P-Methoxyphenyl)-propene, 1-Methoxy-4-(1-propenyl)-(e)-benzene, 1-Methoxy-4-(1e)-1-propen-1-yl-benzene, 1-Methoxy-4-(1e)-1-propenyl-benzene, 1-Methoxy-4-(propen-1-yl)-benzene, 1-Methoxy-4-(propenyl)-benzene, 1-Methoxy-4-[(1Z)-prop-1-en-1-yl]benzene, Anisole, p-propenyl-, cis-, Benzene, 1-methoxy-4-(1-propenyl)-, (Z)-, Benzene, 1-methoxy-4-(1-propenyl)-, (Z)- (9CI), Cis-anethol, cis-Anethole, Cis-p-anethole, Cis-p-propenylanisole, ghl.PD_Mitscher_leg0.374, P-Propenyl-trans-anisole, (E)-1-(4-Methoxyphenyl)propene, (E)-1-Methoxy-4-(1-propenyl)benzene, (E)-1-p-Methoxyphenylpropene, (E)-Anethol, (E)-anethole, (E)-p-propenylanisole, 1-(4-Methoxyphenyl)-1(3)-propene, 1-(Methyloxy)-4-[(1E)-prop-1-en-1-yl]benzene, 1-Methoxy-4-((1E)-1-propenyl)benzene, 1-Methoxy-4-(1-propenyl)benzene, (E)-, 1-Methoxy-4-(1-propenyl)benzene, 9CI, 1-methoxy-4-[(1E)-prop-1-en-1-yl]benzene, 1-Methoxy-4-propenylbenzene, 4-Methoxy-1-propenylbenzene, 4-Methoxypropenylbenzene, 4-Propenylanisole, Anethole, USAN, Anise camphor, Anisole, p-propenyl-, (E)- (8CI), Anisole, p-propenyl-, trans-, Anistearoptene, Benzene, 1-methoxy-4-(1-propenyl)-, (E)-, Benzene, 1-methoxy-4-(1E)-1-propen-1-yl-, Benzene, 1-methoxy-4-(1E)-1-propenyl-, Benzene, 1-methoxy-4-(propen-1-yl)-, Benzene, 1-methoxy-4-(propenyl)-, E-anethole, FEMA 2086, Isoestragole, Methoxy-4-propenylbenzene, Methoxy-beta-methylstyrene, trans-p-, P-anethole, p-Propenylanisole, 8CI, P-propenylphenyl methyl ether, Propene, 1-(p-methoxyphenyl)-, trans-1-(4-Methoxyphenyl)-1-propene, trans-1-(p-Methoxyphenyl)-1-propene, trans-1-(p-Methoxyphenyl)propene, trans-1-Methoxy-4-(1-propenyl)benzene, trans-1-p-Anisylpropene, trans-4-(1-Propenyl)anisole, Trans-anethole, Trans-anise camphor, Trans-p-anethole, Trans-p-methoxy-beta-methylstyrene, Trans-p-propenylanisole, (e)-1-(4-Methoxyphenyl)propene, (e)-1-Methoxy-4-(1-propenyl)benzene, (e)-1-P-Methoxyphenylpropene, (e)-Anethol, (e)-Anethole, (e)-P-Propenylanisole, 1-Methoxy-4-(1-propenyl)benzene, 9ci, 1-Methoxy-4-(1E)-1-propen-1-yl-benzene, 1-Methoxy-4-(1E)-1-propenyl-benzene, 1-Methoxy-4-[(1E)-prop-1-en-1-yl]benzene, Anethole, usan, Anisole, P-propenyl-, (e)- (8ci), e-Anethole, P-Anethole, P-Propenylanisole, 8ci, P-Propenylphenyl methyl ether, trans-1-(P-Methoxyphenyl)-1-propene, trans-1-(P-Methoxyphenyl)propene, trans-1-P-Anisylpropene, trans-Anethole, trans-Anise camphor, trans-P-Anethole, trans-P-Methoxy-beta-methylstyrene, trans-P-Propenylanisole, (z)-anethole, (z)•anethole, anethole, cis, cis -anethole, cis- anethole, cis-anethole, cis‐anethole, z-anethole |
| Esol Class | Soluble |
| Functional Groups | c/C=CC, cOC |
| Compound Name | Anethole, (Z)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 148.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 148.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 148.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.109507363636363 |
| Inchi | InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3-8H,1-2H3/b4-3- |
| Smiles | C/C=C\C1=CC=C(C=C1)OC |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Anisoles |
| Np Classifier Superclass | Phenylpropanoids (C6-C3) |
- 1. Outgoing r'ship
FOUND_INto/from Actaea Cimicifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Actaea Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Actaea Simplex (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Agastache Rugosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Akebia Quinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Akebia Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Angelica Glauca (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9698930 - 9. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Arnebia Euchroma (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Arnebia Guttata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Artemisia Dracunculus (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Artemisia Porrecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Aster Tataricus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Bursera Graveolens (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2009.9700199 - 16. Outgoing r'ship
FOUND_INto/from Carum Carvi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1025919 - 17. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Cinnamomum Camphora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Cinnamomum Cassia (Plant) Rel Props:Source_db:npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Clausena Anisata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Curcuma Kwangsiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 23. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 24. Outgoing r'ship
FOUND_INto/from Curcuma Phaeocaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 25. Outgoing r'ship
FOUND_INto/from Curcuma Wenyujin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 26. Outgoing r'ship
FOUND_INto/from Curcuma Zedoaria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 27. Outgoing r'ship
FOUND_INto/from Dictamnus Albus (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2006.9699148 - 28. Outgoing r'ship
FOUND_INto/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1997.9700731 - 29. Outgoing r'ship
FOUND_INto/from Feronia Limonia (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042145 - 30. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all;npass_chem_all - 32. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 34. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 36. Outgoing r'ship
FOUND_INto/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 37. Outgoing r'ship
FOUND_INto/from Laurus Nobilis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700989 - 38. Outgoing r'ship
FOUND_INto/from Levisticum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all - 39. Outgoing r'ship
FOUND_INto/from Limnophila Rugosa (Plant) Rel Props:Source_db:npass_chem_all - 40. Outgoing r'ship
FOUND_INto/from Lithospermum Erythrorhizon (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 41. Outgoing r'ship
FOUND_INto/from Magnolia Salicifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 42. Outgoing r'ship
FOUND_INto/from Melissa Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 43. Outgoing r'ship
FOUND_INto/from Mentha Piperita (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2002.9699865 - 44. Outgoing r'ship
FOUND_INto/from Ocimum Basilicum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 45. Outgoing r'ship
FOUND_INto/from Origanum Majorana (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 46. Outgoing r'ship
FOUND_INto/from Origanum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all - 47. Outgoing r'ship
FOUND_INto/from Osmorhiza Aristata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 48. Outgoing r'ship
FOUND_INto/from Persea Americana (Plant) Rel Props:Source_db:fooddb_chem_all - 49. Outgoing r'ship
FOUND_INto/from Pimenta Dioica (Plant) Rel Props:Source_db:fooddb_chem_all - 50. Outgoing r'ship
FOUND_INto/from Pimpinella Anisum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 51. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 52. Outgoing r'ship
FOUND_INto/from Polyalthia Nemoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 53. Outgoing r'ship
FOUND_INto/from Rosmarinus Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all - 54. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1998.9700989 - 55. Outgoing r'ship
FOUND_INto/from Satureja Hortensis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1119762 - 56. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 57. Outgoing r'ship
FOUND_INto/from Senna Alexandrina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 58. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 59. Outgoing r'ship
FOUND_INto/from Tagetes Terniflora (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1379 - 60. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:fooddb_chem_all - 61. Outgoing r'ship
FOUND_INto/from Trachyspermum Ammi (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2015.1119762 - 62. Outgoing r'ship
FOUND_INto/from Valeriana Officinalis (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2000.9699524 - 63. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 64. Outgoing r'ship
FOUND_INto/from Zanthoxylum Piperitum (Plant) Rel Props:Source_db:npass_chem_all - 65. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all